tert-butyl 6-azanyl-5,7,7-tricyano-2-(4-methylsulfanylphenyl)-1,3,8,8a-tetrahydroisoquinoline-8-carboxylate

Systemtic Name: tert-butyl 6-azanyl-5,7,7-tricyano-2-(4-methylsulfanylphenyl)-1,3,8,8a-tetrahydroisoquinoline-8-carboxylate Openeye Name: tert-butyl 6-amino-5,7,7-tricyano-2-(4-methylsulfanylphenyl)-1,3,8,8a-tetrahydroisoquinoline-8-carboxylate CAS Name: 6-amino-5,7,7-tricyano-2-[4-(methylthio)phenyl]-1,3,8,8a-tetrahydroisoquinoline-8-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-amino-5,7,7-tricyano-2-(4-methylsulfanylphenyl)-1,3,8,8a-tetrahydroisoquinoline-8-carboxylate Traditional Name: 6-amino-5,7,7-tricyano-2-[4-(methylthio)phenyl]-1,3,8,8a-tetrahydroisoquinoline-8-carboxylic acid tert-butyl ester Formula: C24H25N5O2S MolecularWeight: 447.5526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)(C)OC(=O)C1C2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C3=CC=C(C=C3)SC

InChI

InChI=1S/C24H25N5O2S/c1-23(2,3)31-22(30)20-19-12-29(15-5-7-16(32-4)8-6-15)10-9-17(19)18(11-25)21(28)24(20,13-26)14-27/h5-9,19-20H,10,12,28H2,1-4H3